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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196380

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1196380
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 76
  • Number of elements: 6
  • Element list: ['Sm', 'Ag', 'H', 'C', 'S', 'O']
  • Chemical System: Ag-C-H-O-S-Sm
  • Density: 3.718595509858007
  • Atomic Density: 0.08895009535773797
  • Unit Cell Volume: 854.4116753820724
  • Molar Volume: 6.77024654755035
  • Full Formula: Sm4 Ag4 H16 C8 S4 O40
  • Reduced Formula: SmAgH4C2SO10
  • Formula Anonymous: ABCD2E4F10
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -510.00781054
  • Final energy per atom: -6.710629086052632
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.